methyl 3-[2-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)ethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-(4-morpholinosulfonyl-2-nitro-phenoxy)acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[4-(4-morpholinylsulfonyl)-2-nitrophenoxy]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-(4-morpholinosulfonyl-2-nitro-phenoxy)acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C18H19N3O9S2 MolecularWeight: 485.48816

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O9S2/c1-28-18(23)17-13(4-9-31-17)19-16(22)11-30-15-3-2-12(10-14(15)21(24)25)32(26,27)20-5-7-29-8-6-20/h2-4,9-10H,5-8,11H2,1H3,(H,19,22)